5-bromo-4-nitropyridine-3-carboxamide

C6H4BrN3O3 — CID 130893277

IUPAC5-bromo-4-nitropyridine-3-carboxamide
SMILESNC(=O)c1cncc(Br)c1[N+](=O)[O-]
InChIInChI=1S/C6H4BrN3O3/c7-4-2-9-1-3(6(8)11)5(4)10(12)13/h1-2H,(H2,8,11)
InChIKeyQWHNFDNBTVCZNI-UHFFFAOYSA-N
MW246.02 g/mol
LogP0.85
Rot. Bonds2

About 5-bromo-4-nitropyridine-3-carboxamide

5-bromo-4-nitropyridine-3-carboxamide (PubChem CID 130893277) has the molecular formula C6H4BrN3O3 and a molecular weight of 246.02 g/mol. Its IUPAC name is 5-bromo-4-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-4-nitropyridine-3-carboxamide
PubChem CID130893277
Molecular FormulaC6H4BrN3O3
Molecular Weight246.02 g/mol
Exact Mass244.94
IUPAC Name5-bromo-4-nitropyridine-3-carboxamide
SMILESNC(=O)c1cncc(Br)c1[N+](=O)[O-]
InChIInChI=1S/C6H4BrN3O3/c7-4-2-9-1-3(6(8)11)5(4)10(12)13/h1-2H,(H2,8,11)
InChIKeyQWHNFDNBTVCZNI-UHFFFAOYSA-N
XLogP0.85
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.02
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-nitropyridine-3-carbaldehyde
CID 131052824
3-bromo-5-methyl-2-nitrobenzamide
CID 130924275
4-chloropyridine-3,5-dicarboxamide
CID 151323477
3-bromo-5-nitropyridine-4-carbaldehyde
CID 130966460
3-bromopyridine-4-carboxamide;hydrochloride
CID 169006653
5-formyl-3-methoxy-2-nitrobenzamide
CID 171023186
4-bromo-2,6-difluoro-3-nitrobenzamide
CID 118338248
2-(3-bromo-5-nitro-4-pyridinyl)propanedioic acid
CID 68655260
2-nitro-3-sulfanylbenzamide
CID 151776475
4-chloro-5-fluoropyridine-3-carboxamide
CID 99981298
4-hydroxy-2-methyl-3-nitrobenzamide
CID 20981195
2-amino-5-nitropyridine-4-carboxamide
CID 19034952

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-nitropyridine-3-carboxamide?
The IUPAC name of 5-bromo-4-nitropyridine-3-carboxamide (CID 130893277) is 5-bromo-4-nitropyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-4-nitropyridine-3-carboxamide?
The canonical SMILES for 5-bromo-4-nitropyridine-3-carboxamide is NC(=O)c1cncc(Br)c1[N+](=O)[O-].
What is the InChIKey of 5-bromo-4-nitropyridine-3-carboxamide?
The InChIKey is QWHNFDNBTVCZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3O3/c7-4-2-9-1-3(6(8)11)5(4)10(12)13/h1-2H,(H2,8,11).
What are the key properties of 5-bromo-4-nitropyridine-3-carboxamide?
5-bromo-4-nitropyridine-3-carboxamide has a molecular weight of 246.02 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-nitropyridine-3-carboxamide is sourced from PubChem (CID 130893277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).